1-(1-aminopiperidin-2-yl)propan-1-one

C8H16N2O — CID 57118405

IUPAC1-(1-aminopiperidin-2-yl)propan-1-one
SMILESCCC(=O)C1CCCCN1N
InChIInChI=1S/C8H16N2O/c1-2-8(11)7-5-3-4-6-10(7)9/h7H,2-6,9H2,1H3
InChIKeyWLXPMXSKMFQXGO-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.69
Rot. Bonds2

About 1-(1-aminopiperidin-2-yl)propan-1-one

1-(1-aminopiperidin-2-yl)propan-1-one (PubChem CID 57118405) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(1-aminopiperidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-aminopiperidin-2-yl)propan-1-one
PubChem CID57118405
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(1-aminopiperidin-2-yl)propan-1-one
SMILESCCC(=O)C1CCCCN1N
InChIInChI=1S/C8H16N2O/c1-2-8(11)7-5-3-4-6-10(7)9/h7H,2-6,9H2,1H3
InChIKeyWLXPMXSKMFQXGO-UHFFFAOYSA-N
XLogP0.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1-(1-acetylpiperidin-2-yl)propan-1-one
CID 45119530
(2R)-1-aminopiperidine-2-carboxylic acid
CID 92556917
methyl (2R)-1-aminopiperidine-2-carboxylate
CID 90433668
1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one
CID 99786176
methane;1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 159643972
1-[1-(1-methylpiperidin-4-yl)piperidin-2-yl]propan-1-one
CID 147351272
1-(2-propanoylpyrrolidin-1-yl)butane-1,2-dione
CID 20658470
1-propanoylpiperidine-2-carboxamide
CID 60717244
1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one
CID 91649026
2-methyl-1-[(2S)-2-propanoylpyrrolidin-1-yl]propan-1-one
CID 121371179
dimethylamino 1-aminopyrrolidine-2-carboxylate
CID 140504713
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopiperidin-2-yl)propan-1-one?
The IUPAC name of 1-(1-aminopiperidin-2-yl)propan-1-one (CID 57118405) is 1-(1-aminopiperidin-2-yl)propan-1-one.
What is the SMILES notation for 1-(1-aminopiperidin-2-yl)propan-1-one?
The canonical SMILES for 1-(1-aminopiperidin-2-yl)propan-1-one is CCC(=O)C1CCCCN1N.
What is the InChIKey of 1-(1-aminopiperidin-2-yl)propan-1-one?
The InChIKey is WLXPMXSKMFQXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-8(11)7-5-3-4-6-10(7)9/h7H,2-6,9H2,1H3.
What are the key properties of 1-(1-aminopiperidin-2-yl)propan-1-one?
1-(1-aminopiperidin-2-yl)propan-1-one has a molecular weight of 156.23 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopiperidin-2-yl)propan-1-one is sourced from PubChem (CID 57118405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).